Charge: 2
Inchi:1S/C22H12/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1-12H/q+2
Electronic States
Energy
(eV)
-844.57197
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2h
Symmetry Elements
E
C2(z)
sigmah(xy)
i
Rotational Constants
(cm-1)
0.02099 b
(cm-1)
0.00812 c
(cm-1)
0.00585
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.00000
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
-0.30700
Diff mu Y
(Debye)
-0.48600
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
-0.05704
0.01339
0.00000
2
-0.05704
0.01339
0.00000
3
0.00306
-0.01065
0.00000
4
0.03701
-0.02619
0.00000
5
0.03701
-0.02619
0.00000
6
0.00306
-0.01065
0.00000
7
-0.00808
-0.01416
0.00000
8
-0.01371
0.00220
0.00000
9
-0.01371
0.00220
0.00000
10
-0.00808
-0.01416
0.00000
11
0.05970
-0.01214
0.00000
12
-0.01908
-0.03153
0.00000
13
-0.01908
-0.03153
0.00000
14
0.05970
-0.01214
0.00000
15
-0.02368
0.04727
0.00000
16
-0.02368
0.04727
0.00000
17
0.00458
0.02269
0.00000
18
0.00458
0.02269
0.00000
19
-0.01114
-0.02577
0.00000
20
-0.01114
-0.02577
0.00000
21
0.00997
0.02004
0.00000
22
0.00997
0.02004
0.00000
23
0.15188
0.20476
0.00000
24
0.15188
0.20476
0.00000
25
0.00594
0.01806
0.00000
26
0.00594
0.01806
0.00000
27
0.08654
-0.05666
0.00000
28
0.08654
-0.05666
0.00000
29
0.05135
-0.38495
0.00000
30
0.05135
-0.38495
0.00000
31
-0.04788
0.18624
0.00000
32
-0.04788
0.18624
0.00000
33
-0.02860
0.20926
0.00000
34
-0.02860
0.20926
0.00000